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3-Propylmalate

PropertiesImage
MNX_IDMNXM4348 Image of MNXM4348
referencekeggC:C02123
formulaC7H12O5
global charge0
mol weight176.168
InChIKeyLOLHYFQEDPGSHZ-AKGZTFGVSA-N
InChIInChI=1S/C7H12O5/c1-2-3-4(6(9)10)5(8)7(11)12/h4-5,8H,2-3H2,1H3,(H,9,10)(H,11,12)/t4?,5-/m0/s1
SMILESCCCC(C(=O)O)[C@H](O)C(=O)O
MNX internals
InChI (mnx)InChI=1/C7H12O5/c1-2-3-4(6(9)10)5(8)7(11)12/h4-5,8H,2-3H2,1H3,(H,9,10)(H,11,12)/t4?,5-/m0/s1 Image of MNXM4348
SMILES (mnx)[CH3:1][CH2:2][CH2:3][CH:4]([C@@H:5]([C:7](=[O:11])[OH:12])[OH:8])[C:6](=[O:9])[OH:10]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

kegg.compound:C02123
keggC:C02123
LOLHYFQEDPGSHZ-AKGZTFGVSA-N 		3-Propylmalate
3-Propylmalic acid

seed.compound:cpd01436
seedM:cpd01436
LOLHYFQEDPGSHZ-AKGZTFGVSA-L 		3-Propylmalate
3-propylmalate

metacyc.compound:CPD-52
metacycM:CPD-52
LOLHYFQEDPGSHZ-AKGZTFGVSA-L 		3-propylmalate

CHEBI:15594
chebi:15594
LOLHYFQEDPGSHZ-UHFFFAOYSA-L 		3-propylmalate
2-hydroxy-3-propylbutanedioate
2-hydroxy-3-propylsuccinate
3-propylmalate(2-)

CHEBI:30850
chebi:30850
LOLHYFQEDPGSHZ-UHFFFAOYSA-N 		3-propylmalic acid
2-hydroxy-3-propylbutanedioic acid

lipidmaps:LMFA01170064
lipidmapsM:LMFA01170064
LOLHYFQEDPGSHZ-UHFFFAOYSA-N 		3-propylmalic acid
2-hydroxy-3-propylbutanedioic acid
3-propylmalic acid
FA 7:1
O3

chebi:11887
chebi:1663
chebi:20196
chebi:20197
keggC:M_C02123
seedM:M_cpd01436 		secondary/obsolete/fantasy identifier